| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:12 UTC |
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| Update Date | 2025-03-25 00:48:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167513 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H25N3O8 |
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| Molecular Mass | 423.1642 |
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| SMILES | CC(=O)NC1C(Oc2ccc3[nH]cc(CC(N)C(=O)O)c3c2)OC(CO)C(O)C1O |
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| InChI Key | ALCFAIGRHGQTJY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | n-acyl-alpha-hexosamines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsacetamidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersprimary alcoholspyrrolessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidindolemonosaccharidealpha-amino acid or derivativescarboxylic acid derivativen-acyl-alpha-hexosamineorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidealcoholazacycleheteroaromatic compoundindole or derivativescarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyrrolesecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compound |
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